SCHEMBL871464

SCHEMBL871464

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 11/20 0.34
LITAF Q99732 11/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
GRM1 Q13255 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL871465 1.00 TNF (0.34) TNFLITAFPDE4BPDE4DCYP1A2
SCHEMBL870836 0.95 TNF (0.33) TNFLITAFPDE4BPDE4DCYP1A2
SCHEMBL870835 0.95 TNF (0.33) TNFLITAFPDE4BPDE4DCYP1A2
SCHEMBL870540 0.93 TNF (0.32) TNFLITAFPDE4BPDE4DUSP7
SCHEMBL870539 0.93 TNF (0.32) TNFLITAFPDE4BPDE4DUSP7
SCHEMBL872979 0.93 PDE4B (0.35) TNFLITAFPDE4BPDE4DUSP7
SCHEMBL872980 0.93 PDE4B (0.35) TNFLITAFPDE4BPDE4DUSP7
SCHEMBL869679 0.92 MGLL (0.34) TNFLITAFPDE4BPDE4DCYP1A2
SCHEMBL870234 0.92 PDK1 (0.35) TNFLITAFPDE4BPDE4D
SCHEMBL869678 0.92 MGLL (0.34) TNFLITAFPDE4BPDE4DCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B TNF 1585/4885LITAF 2742/4885PDE4B 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.